1-(2-溴乙氧基)-2-硝基苯 | 18800-37-8

• 物质功能分类: 化学试剂 - 有机试剂 - 硝基化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(2-溴乙氧基)-2-硝基苯
• 中文别名: 1-(2-溴甲氧基)-2-硝基苯
• 英文名称: 1-(2-bromoethoxy)-2-nitrobenzene
• 英文别名: 2-(2'-bromoethoxy)nitrobenzene
• CAS: 18800-37-8
• 化学式: C₈H₈BrNO₃
• mdl: MFCD02030589
• 分子量: 246.06
• InChiKey: AHOFWSHLRKOJBS-UHFFFAOYSA-N

物化性质

• 熔点：
  40-44 °C
• 沸点：
  127-130 °C (0.5 mmHg)
• 密度：
  1.587±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xn,Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2909309090
• 储存条件：
  应将密闭保存在0至6℃的阴凉干燥环境中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-(2-Bromoethoxy)-2-nitrobenzene
Synonyms: 2-(2-Nitrophenoxy)ethyl bromide,

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 1-(2-Bromoethoxy)-2-nitrobenzene
CAS number: 18800-37-8

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C8H8BrNO3
Molecular weight: 246.1

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen bromide.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-(2-溴乙氧基)-2-硝基苯 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以54%的产率得到1-(乙炔氧基)-2-硝基苯
  参考文献：
  名称：

  [EN] NON-SYSTEMIC TGR5 AGONISTS
  [FR] AGONISTES DE TGR5 NON SYSTÉMIQUES

  摘要：

  结构(I)的化合物，或其立体异构体、互变异构体、药学上可接受的盐或前药，其中R1、R2、R3、R4、R8、R9、R10、R11、R12、A1、A2、X、Y和Z如本文所定义。提供了这些化合物作为TGR5拮抗剂的用途，以及用于治疗各种适应症，包括II型糖尿病。

  公开号：

  WO2013096771A1
• 作为产物：
  描述：

  1,2-二溴乙烷 、 硝苯酚 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 24.5h， 以85%的产率得到1-(2-溴乙氧基)-2-硝基苯
  参考文献：
  名称：

  桥连偶氮苯的大金属双核NHC银（I）配合物：硫酸氢盐的合成，结构与识别

  摘要：

  一种双咪唑盐2,2'-二[2''-（N-甲基咪唑基）乙氧基]偶氮苯六氟磷酸盐（LH 2 ·（PF 6）2）及其大金属环双核N-杂环卡宾银（I）配合物制备并表征[（LAg）2 ]（PF 6）2。[（LAg）2 ]（PF 6）2的结构通过X射线单晶衍射，1 H NMR和13 C NMR光谱确定。在复数[（LAg）2 ]（PF 6）2中，由两个双卡宾配体L和两个银（I）离子形成一个34元的大金属环。此外，基于荧光滴定法，紫外线滴定法，1 H NMR滴定法，HRMS和IR光谱，研究了使用[（LAg）2 ]（PF 6）2作为化学传感器对硫酸氢的选择性识别。复合物[（LAg）2 ]（PF 6）2被证明是有效的硫酸氢化学传感器。

  DOI：

  10.1016/j.tet.2019.04.066

文献信息

• Targeted probes of cellular physiology
  申请人：Waggoner Alan

  公开号：US09995679B2

  公开（公告）日：2018-06-12

  Biosensor comprising an activatable acceptor fluorogen linked via a linker to a donor which transfers energy to the fluorogen on detecting an analyte wherein the fluorogen component reacts and a 100 fold increase in intensity results when the fluorogen interacts non-covalently with an activator e.g. fluorogen activator peptide.

  生物传感器，包含一个可激活的受体荧光团，通过一个连接体与供体相连，该供体在检测到分析物时将能量转移给荧光团，其中荧光团组分在非共价地与激活剂如荧光团激活肽相互作用时发生反应，并导致强度增加100倍。
• [EN] METHODS FOR PREPARING FUEL ADDITIVES<br/>[FR] PROCÉDÉS DE PRÉPARATION D'ADDITIFS DE CARBURANT
  申请人：BP OIL INT

  公开号：WO2019129591A1

  公开（公告）日：2019-07-04

  A method is provided for preparing a fuel additive having the formula: ( l ) The method comprises carrying out the following reactions: (i) addition of an alkylating agent b to starting material a: (a) to form an intermediate c; and (ii) ring closing intermediate c to form fuel additive e.

  提供了一种制备具有以下公式的燃料添加剂的方法：（1）该方法包括进行以下反应：（i）将烷基化剂b添加到起始物质a中：（a）形成中间体c；和（ii）环闭合中间体c以形成燃料添加剂e。
• DEEP RED FLUORESCENT PROBE
  申请人：The University of Tokyo

  公开号：US20200087326A1

  公开（公告）日：2020-03-19

  A near-infrared fluorescent probe has fluorescence in the near-infrared region. Like CaSiR-1, the probe has rhodamines as the fluorescent mother nucleus and accumulates in the cytoplasm. The probe makes it possible to visualize concentration fluctuations in metal ions, such as calcium ions, within the body. The fluorescent probe includes a compound represented by the following general formula or a salt of the compound:

  一个近红外荧光探针在近红外区域有荧光。像CaSiR-1一样，该探针以罗丹明作为荧光母核，并在细胞质中积累。该探针使得可视化体内金属离子，如钙离子的浓度波动成为可能。荧光探针包括由以下通用公式表示的化合物或该化合物的盐：
• Protein-specific localization of a rhodamine-based calcium-sensor in living cells
  作者：Marcel Best、Isabel Porth、Sebastian Hauke、Felix Braun、Dirk-Peter Herten、Richard Wombacher

  DOI：10.1039/c6ob00365f

  日期：——

  A small synthetic calcium sensor that can be site-specifically coupled to any protein of interest in living cells by utilizing the bio-orthogonal HaloTag labeling strategy.

  一个小的合成钙传感器，可以通过利用生物正交的HaloTag标记策略，在活细胞中特异性地与任何感兴趣的蛋白质偶联。

• [EN] PYRROLE ANTIFUNGAL AGENTS<br/>[FR] AGENTS ANTIFONGIQUES À BASE DE PYRROLE
  申请人：F2G LTD

  公开号：WO2009130481A1

  公开（公告）日：2009-10-29

  The invention provides compounds of formula (I), and pharmaceutically and agriculturally acceptable salts thereof; wherein: R1, R2, R3, R4, R5, R6, A1, L1 and n are as defined herein. These compounds and their pharmaceutically acceptable salts are useful in prevention or treatment of a fungal disease. Compounds of formula (I), and agriculturally acceptable salts thereof, may also be used as agricultural fungicides.

  该发明提供了式(I)的化合物，以及其在药学和农业上可接受的盐；其中：R1、R2、R3、R4、R5、R6、A1、L1和n如本文所定义。这些化合物及其药学上可接受的盐在预防或治疗真菌病方面是有用的。式(I)的化合物及其农业上可接受的盐也可用作农业杀菌剂。